%chk=000028300.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028300

0 1
 O   5.8499999E-02  -1.915700       1.112300    
 N  -2.9700000E-02   1.592400      -1.310400    
 N   1.2000000E-02   1.629100       1.149800    
 C    1.282700     -0.1651000     -7.2899997E-02
 C   -1.274400     -0.1839000     -3.4200002E-02
 C  -2.5100000E-02   2.459400     -9.1899998E-02
 C   1.3400000E-02  -1.077700     -4.6000000E-02
 C    1.178900      0.7359000      -1.343700    
 C    1.218900      0.7717000       1.172100    
 C   -1.218900      0.7059000      -1.317600    
 C   -1.170200      0.7379000       1.219600    
 C   -1.259300       3.410700     -8.4500000E-02
 C    1.174900       3.453100     -0.1256000    
 C    2.543500     -0.9639000     -6.8899997E-02
 C   -2.526300     -0.9949000      1.7500000E-02
 C   -1.262200       4.271600      -1.319400    
 C    1.146900       4.346400       1.085700    
 C    2.802200      -1.862600      -1.103100    
 C   -2.808100      -1.907000     -0.9990000    
 C    3.461500     -0.8103000      0.9694000    
 C   -3.413100     -0.8394000       1.082300    
 C    3.981000      -2.608700      -1.099200    
 C   -3.978200      -2.665000     -0.9503000    
 C    4.640000      -1.556600      0.9734000    
 C   -4.583200      -1.597300       1.130800    
 C    4.900100      -2.455700     -6.1099999E-02
 C   -4.865700      -2.510400      0.1147000    
 H  -3.4000000E-03  -1.743500     -0.9175000    
 H    2.082800       1.343100      -1.470400    
 H    1.142800      0.1232000      -2.254800    
 H    1.202300      0.1968000       2.109000    
 H    2.097500       1.419800       1.250900    
 H   -1.184200      8.4799998E-02  -2.223200    
 H   -2.140500       1.287400      -1.433000    
 H   -2.051800       1.375500       1.341300    
 H   -1.103600      0.1557000       2.149600    
 H   -2.204000       2.858000     -8.7300003E-02
 H   -1.329500       4.022900      0.8208000    
 H    2.139200       2.935600     -0.1162000    
 H    1.220200       4.044500      -1.046200    
 H   0.7732000      -2.561900      0.9860000    
 H   -1.081300       3.721200      -2.246800    
 H  -0.5619000       5.109600      -1.261100    
 H   -2.251800       4.733100      -1.425700    
 H   0.9894000       3.814600       2.028200    
 H   0.4149000       5.155100       1.007400    
 H    2.118400       4.848000       1.176600    
 H    2.103800      -2.001400      -1.923300    
 H   -2.134600      -2.046600      -1.839700    
 H    3.334000     -0.1454000       1.814400    
 H   -3.267800     -0.1659000       1.917500    
 H    4.183200      -3.309100      -1.904300    
 H   -4.198300      -3.375900      -1.741500    
 H    5.355300      -1.440500       1.782600    
 H   -5.274000      -1.479900       1.960900    
 H    5.817400      -3.037100     -5.7700001E-02
 H   -5.776300      -3.101000      0.1529000    


%chk=000028300-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028300

0 1
O 0.002666 -1.831997 1.290463
N -0.033879 1.622056 -1.299927
N 0.007291 1.731674 1.173861
C 1.297749 -0.107893 0.000400
C -1.270552 -0.153327 0.057001
C -0.027339 2.562768 -0.096173
C 0.022059 -1.021526 0.064100
C 1.180981 0.756830 -1.312851
C 1.227900 0.868986 1.222737
C -1.221379 0.718702 -1.258631
C -1.184500 0.828969 1.275044
C -1.304935 3.454389 -0.104327
C 1.219224 3.494276 -0.171199
C 2.561781 -0.974015 -0.022073
C -2.526583 -1.031954 0.055981
C -1.422280 4.393358 -1.324210
C 1.313592 4.520829 0.978355
C 2.805503 -1.852743 -1.116753
C -2.777622 -1.913349 -1.031582
C 3.514000 -0.954669 1.032597
C -3.479573 -0.991849 1.105949
C 3.956675 -2.667532 -1.161064
C -3.935131 -2.718910 -1.071885
C 4.668844 -1.769470 0.991281
C -4.641534 -1.795640 1.070241
C 4.897713 -2.629075 -0.105535
C -4.878042 -2.662308 -0.019434
H 0.018809 -1.692073 -0.825136
H 2.090639 1.364700 -1.445383
H 1.109993 0.095307 -2.198180
H 1.176437 0.283675 2.159327
H 2.130687 1.500344 1.273811
H -1.170454 0.061274 -2.147511
H -2.152331 1.301460 -1.351424
H -2.101502 1.434663 1.354711
H -1.085124 0.248411 2.209162
H -2.216190 2.835583 -0.062699
H -1.299200 4.035799 0.835149
H 2.151694 2.906068 -0.177234
H 1.186266 4.006319 -1.149476
H 0.808795 -2.409459 1.292797
H -1.290522 3.827040 -2.263319
H -0.666752 5.198897 -1.304317
H -2.417422 4.874850 -1.343018
H 1.207240 4.017180 1.955624
H 0.529781 5.296155 0.910169
H 2.291228 5.036810 0.953593
H 2.091621 -1.902880 -1.947832
H -2.060422 -1.982100 -1.859178
H 3.361709 -0.300566 1.896369
H -3.316530 -0.342983 1.971560
H 4.120353 -3.331976 -2.017242
H -4.102194 -3.390038 -1.922455
H 5.387737 -1.733843 1.817895
H -5.359368 -1.748228 1.897397
H 5.792557 -3.260404 -0.138322
H -5.778663 -3.285969 -0.048007


